UCSF

ZINC36360973

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 5.05 -11.1 2 6 0 79 346.437 4
Ref Reference (pH 7) 2.93 5.9 -11.79 2 6 0 76 346.437 5
Hi High (pH 8-9.5) 3.00 4.08 -54.5 1 6 -1 82 345.429 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )